Non anti-pain drug nv2 #224 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Hydrochlorothiazide
PDE4B_HUMAN

Docking Scores:
-7.29 -6.94 -7.09
Similarity Score:
31.29%
Best Match:
CHEMBL576479

L: Dolutegravir
PDE4B_HUMAN

Docking Scores:
-10.50 -11.07 -10.99
Similarity Score:
46.67%
Best Match:
CHEMBL3288021

L: Metolazone
PDE4B_HUMAN

Docking Scores:
-8.70 -8.48 -7.98
Similarity Score:
43.26%
Best Match:
CHEMBL380321

L: Bendroflumethiazide
PDE4B_HUMAN

Docking Scores:
-9.81 -10.72 -10.49
Similarity Score:
30.84%
Best Match:
CHEMBL571593

L: Hydralazine
PDE4B_HUMAN

Docking Scores:
-6.96 -7.97 -7.73
Similarity Score:
50.00%
Best Match:
CHEMBL124706

L: Hydrochlorothiazide
PDE5A_HUMAN

Docking Scores:
-7.07 -7.63 -7.55
Similarity Score:
24.88%
Best Match:
CHEMBL2414309

L: Dolutegravir
PDE5A_HUMAN

Docking Scores:
-10.54 -11.10 -10.88
Similarity Score:
45.00%
Best Match:
CHEMBL349299

L: Metolazone
PDE5A_HUMAN

Docking Scores:
-8.23 -9.77 -8.95
Similarity Score:
44.79%
Best Match:
CHEMBL4092040

L: Bendroflumethiazide
PDE5A_HUMAN

Docking Scores:
-9.95 -10.02 -10.31
Similarity Score:
27.39%
Best Match:
CHEMBL2414307

L: Hydralazine
PDE5A_HUMAN

Docking Scores:
-7.65 -6.94 -6.98
Similarity Score:
36.70%
Best Match:
CHEMBL332898

L: Hydrochlorothiazide
PERM_HUMAN

Docking Scores:
-6.38 -6.97 -6.38
Similarity Score:
21.67%
Best Match:
CHEMBL3741401

L: Dolutegravir
PERM_HUMAN

Docking Scores:
-9.33 -9.63 -9.13
Similarity Score:
29.66%
Best Match:
CHEMBL3633249

L: Metolazone
PERM_HUMAN

Docking Scores:
-7.96 -8.12 -8.34
Similarity Score:
29.59%
Best Match:
CHEMBL86

L: Bendroflumethiazide
PERM_HUMAN

Docking Scores:
-8.45 -8.54 -8.25
Similarity Score:
31.40%
Best Match:
CHEMBL2346670

L: Hydralazine
PERM_HUMAN

Docking Scores:
-7.96 -8.08 -7.81
Similarity Score:
100.00%
Best Match:
CHEMBL276832

L: Hydrochlorothiazide
PGH1_SHEEP

Docking Scores:
-6.17 -7.71 -6.50
Similarity Score:
25.13%
Best Match:
CHEMBL280636

L: Dolutegravir
PGH1_SHEEP

Docking Scores:
-8.41 -9.07 -8.72
Similarity Score:
29.89%
Best Match:
CHEMBL24798

L: Metolazone
PGH1_SHEEP

Docking Scores:
-7.49 -9.01 -8.47
Similarity Score:
40.28%
Best Match:
CHEMBL8968

L: Bendroflumethiazide
PGH1_SHEEP

Docking Scores:
-8.28 -9.39 -7.55
Similarity Score:
29.55%
Best Match:
CHEMBL2041695

L: Hydralazine
PGH1_SHEEP

Docking Scores:
-6.97 -7.13 -6.70
Similarity Score:
21.59%
Best Match:
CHEMBL104592